1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

C9H15NO6S2 — CID 113312092

IUPAC1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C9H15NO6S2/c11-8(12)9(2-3-9)6-10-18(15,16)7-1-4-17(13,14)5-7/h7,10H,1-6H2,(H,11,12)
InChIKeyQHLFHNPOXDJAJR-UHFFFAOYSA-N
MW297.35 g/mol
LogP-1.04
Rot. Bonds5

About 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312092) has the molecular formula C9H15NO6S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312092
Molecular FormulaC9H15NO6S2
Molecular Weight297.35 g/mol
Exact Mass297.03
IUPAC Name1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C9H15NO6S2/c11-8(12)9(2-3-9)6-10-18(15,16)7-1-4-17(13,14)5-7/h7,10H,1-6H2,(H,11,12)
InChIKeyQHLFHNPOXDJAJR-UHFFFAOYSA-N
XLogP-1.04
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441060
1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide
CID 131949970
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 113312092) is 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QHLFHNPOXDJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S2/c11-8(12)9(2-3-9)6-10-18(15,16)7-1-4-17(13,14)5-7/h7,10H,1-6H2,(H,11,12).
What are the key properties of 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).